(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide

C14H20N2O2 — CID 10490793

IUPAC(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(OCC2CC2)cc1)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-10(14(15)17)16-8-11-4-6-13(7-5-11)18-9-12-2-3-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H2,15,17)/t10-/m0/s1
InChIKeyJHQZGRNXYSKFNL-JTQLQIEISA-N
MW248.33 g/mol
LogP1.44
Rot. Bonds7

About (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide

(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide (PubChem CID 10490793) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
PubChem CID10490793
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(OCC2CC2)cc1)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-10(14(15)17)16-8-11-4-6-13(7-5-11)18-9-12-2-3-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H2,15,17)/t10-/m0/s1
InChIKeyJHQZGRNXYSKFNL-JTQLQIEISA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutanoic acid
CID 120510622
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
CID 93037212
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511834
ethyl (3S)-3-[[4-(cyclopropylmethoxy)phenyl]methylamino]-3-phenylpropanoate
CID 118176607
(2S)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
CID 23625206
2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296328
(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide
CID 70078273
methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate
CID 59134632

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide (CID 10490793) is (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide is C[C@H](NCc1ccc(OCC2CC2)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide?
The InChIKey is JHQZGRNXYSKFNL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(14(15)17)16-8-11-4-6-13(7-5-11)18-9-12-2-3-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H2,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide?
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 10490793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).