(2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide

C17H26N4O2 — CID 8007386

IUPAC(2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)[C@H](NC(N)=O)C(C)C
InChIInChI=1S/C17H26N4O2/c1-11(2)15(20-17(18)23)16(22)19-14-7-6-13(10-12(14)3)21-8-4-5-9-21/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,19,22)(H3,18,20,23)/t15-/m1/s1
InChIKeyLIGPTMIDSDJREQ-OAHLLOKOSA-N
MW318.42 g/mol
LogP2.23
Rot. Bonds5

About (2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide

(2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 8007386) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
PubChem CID8007386
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)[C@H](NC(N)=O)C(C)C
InChIInChI=1S/C17H26N4O2/c1-11(2)15(20-17(18)23)16(22)19-14-7-6-13(10-12(14)3)21-8-4-5-9-21/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,19,22)(H3,18,20,23)/t15-/m1/s1
InChIKeyLIGPTMIDSDJREQ-OAHLLOKOSA-N
XLogP2.23
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 78775437
5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 82013453
(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
CID 97305240
ethyl N-[1-[4-(azepan-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55650062
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 111452861
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 42154746
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
2-ethoxy-N-[(2S)-3-methyl-1-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 32551764
3,5-dimethyl-N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]benzamide
CID 42039688
4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 78895818
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
(2S)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 55943069

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide (CID 8007386) is (2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide is Cc1cc(N2CCCC2)ccc1NC(=O)[C@H](NC(N)=O)C(C)C.
What is the InChIKey of (2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is LIGPTMIDSDJREQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(2)15(20-17(18)23)16(22)19-14-7-6-13(10-12(14)3)21-8-4-5-9-21/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,19,22)(H3,18,20,23)/t15-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide?
(2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 318.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 8007386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).