2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C18H27N3O2 — CID 119847373

IUPAC2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CNCC1CC1)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C18H27N3O2/c22-18(13-19-11-15-4-5-15)20-12-16-2-1-3-17(10-16)14-21-6-8-23-9-7-21/h1-3,10,15,19H,4-9,11-14H2,(H,20,22)
InChIKeyGVHIGCZJVJLHNE-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.13
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 119847373) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID119847373
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CNCC1CC1)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C18H27N3O2/c22-18(13-19-11-15-4-5-15)20-12-16-2-1-3-17(10-16)14-21-6-8-23-9-7-21/h1-3,10,15,19H,4-9,11-14H2,(H,20,22)
InChIKeyGVHIGCZJVJLHNE-UHFFFAOYSA-N
XLogP1.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103810427
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119847394
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoic acid
CID 61160544
(3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 124593335
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571005
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55969614

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 119847373) is 2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is O=C(CNCC1CC1)NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is GVHIGCZJVJLHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(13-19-11-15-4-5-15)20-12-16-2-1-3-17(10-16)14-21-6-8-23-9-7-21/h1-3,10,15,19H,4-9,11-14H2,(H,20,22).
What are the key properties of 2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 119847373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).