N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide

C17H25N3O2 — CID 97335336

IUPACN-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H]1C[C@@H](C)N(C2CC2)C1
InChIInChI=1S/C17H25N3O2/c1-11-8-14(10-20(11)15-5-6-15)19-16-9-13(18-12(2)21)4-7-17(16)22-3/h4,7,9,11,14-15,19H,5-6,8,10H2,1-3H3,(H,18,21)/t11-,14+/m1/s1
InChIKeyXAUCXBSPQVIQRD-RISCZKNCSA-N
MW303.41 g/mol
LogP2.69
Rot. Bonds5

About N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide

N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide (PubChem CID 97335336) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
PubChem CID97335336
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H]1C[C@@H](C)N(C2CC2)C1
InChIInChI=1S/C17H25N3O2/c1-11-8-14(10-20(11)15-5-6-15)19-16-9-13(18-12(2)21)4-7-17(16)22-3/h4,7,9,11,14-15,19H,5-6,8,10H2,1-3H3,(H,18,21)/t11-,14+/m1/s1
InChIKeyXAUCXBSPQVIQRD-RISCZKNCSA-N
XLogP2.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
CID 64752342
N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide
CID 43715791
N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide
CID 43715792
N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide
CID 63335794
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide
CID 100684548
N-[3-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]acetamide
CID 21104222

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide (CID 97335336) is N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1N[C@H]1C[C@@H](C)N(C2CC2)C1.
What is the InChIKey of N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide?
The InChIKey is XAUCXBSPQVIQRD-RISCZKNCSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11-8-14(10-20(11)15-5-6-15)19-16-9-13(18-12(2)21)4-7-17(16)22-3/h4,7,9,11,14-15,19H,5-6,8,10H2,1-3H3,(H,18,21)/t11-,14+/m1/s1.
What are the key properties of N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide?
N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 97335336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).