1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide

C28H35N3O3 — CID 144603263

IUPAC1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide
SMILESCC(NC(=O)Cc1cc[nH]c1)c1ccc(O)cc1.c1cc(N2CCCC2)ccc1OCC1CC1
InChIInChI=1S/C14H16N2O2.C14H19NO/c1-10(12-2-4-13(17)5-3-12)16-14(18)8-11-6-7-15-9-11;1-2-10-15(9-1)13-5-7-14(8-6-13)16-11-12-3-4-12/h2-7,9-10,15,17H,8H2,1H3,(H,16,18);5-8,12H,1-4,9-11H2
InChIKeyGCBXPWNKXGLNKL-UHFFFAOYSA-N
MW461.61 g/mol
LogP5.22
Rot. Bonds8

About 1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide

1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide (PubChem CID 144603263) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide
PubChem CID144603263
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide
SMILESCC(NC(=O)Cc1cc[nH]c1)c1ccc(O)cc1.c1cc(N2CCCC2)ccc1OCC1CC1
InChIInChI=1S/C14H16N2O2.C14H19NO/c1-10(12-2-4-13(17)5-3-12)16-14(18)8-11-6-7-15-9-11;1-2-10-15(9-1)13-5-7-14(8-6-13)16-11-12-3-4-12/h2-7,9-10,15,17H,8H2,1H3,(H,16,18);5-8,12H,1-4,9-11H2
InChIKeyGCBXPWNKXGLNKL-UHFFFAOYSA-N
XLogP5.22
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine
CID 144603074
3-[(1S)-1-[4-[4-[4-(cyclopropylmethoxy)phenyl]piperidin-1-yl]phenyl]ethyl]-1,1-dimethylurea
CID 71616117
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide
CID 123659712
4-[2-oxo-2-[1-(4-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid
CID 10570930
2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132657062
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 123749694
(3R)-3-amino-N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopentane-1-carboxamide
CID 118473422
N-[(1S)-1-[4-(cyclopropylmethoxy)phenyl]ethyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 171646665
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
CID 123211751
2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 100633286
2-(4-chlorophenoxy)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 99993525
2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132658442

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide (CID 144603263) is 1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide is CC(NC(=O)Cc1cc[nH]c1)c1ccc(O)cc1.c1cc(N2CCCC2)ccc1OCC1CC1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide?
The InChIKey is GCBXPWNKXGLNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.C14H19NO/c1-10(12-2-4-13(17)5-3-12)16-14(18)8-11-6-7-15-9-11;1-2-10-15(9-1)13-5-7-14(8-6-13)16-11-12-3-4-12/h2-7,9-10,15,17H,8H2,1H3,(H,16,18);5-8,12H,1-4,9-11H2.
What are the key properties of 1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide?
1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide has a molecular weight of 461.61 g/mol, XLogP of 5.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 144603263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).