(2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide

C16H25N3O3 — CID 35888216

IUPAC(2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide
SMILESCc1cccc(OCCCNC(=O)[C@H](NC(N)=O)C(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-11(2)14(19-16(17)21)15(20)18-8-5-9-22-13-7-4-6-12(3)10-13/h4,6-7,10-11,14H,5,8-9H2,1-3H3,(H,18,20)(H3,17,19,21)/t14-/m1/s1
InChIKeyFTTLYPZMSKQSSL-CQSZACIVSA-N
MW307.39 g/mol
LogP1.57
Rot. Bonds8

About (2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide

(2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide (PubChem CID 35888216) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide
PubChem CID35888216
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide
SMILESCc1cccc(OCCCNC(=O)[C@H](NC(N)=O)C(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-11(2)14(19-16(17)21)15(20)18-8-5-9-22-13-7-4-6-12(3)10-13/h4,6-7,10-11,14H,5,8-9H2,1-3H3,(H,18,20)(H3,17,19,21)/t14-/m1/s1
InChIKeyFTTLYPZMSKQSSL-CQSZACIVSA-N
XLogP1.57
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N'-hydroxycarbamimidoyl)-3-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 76923611
(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 94453898
(2S)-2-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]-3-methylbutanamide
CID 9297518
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 111750443
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate
CID 7840296
1-[3-(3-methylphenoxy)propyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 36974850
2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533354
2-(2-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 133219180
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 30369620
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 30722059

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide (CID 35888216) is (2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide is Cc1cccc(OCCCNC(=O)[C@H](NC(N)=O)C(C)C)c1.
What is the InChIKey of (2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide?
The InChIKey is FTTLYPZMSKQSSL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)14(19-16(17)21)15(20)18-8-5-9-22-13-7-4-6-12(3)10-13/h4,6-7,10-11,14H,5,8-9H2,1-3H3,(H,18,20)(H3,17,19,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide?
(2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide has a molecular weight of 307.39 g/mol, XLogP of 1.57, 8 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-[3-(3-methylphenoxy)propyl]butanamide is sourced from PubChem (CID 35888216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).