(2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide

C15H29N5O3 — CID 18659590

IUPAC(2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide
SMILESCCCCCN(/C=N/NC(N)=O)C(=O)[C@H](CC(C)C)NC(C)=O
InChIInChI=1S/C15H29N5O3/c1-5-6-7-8-20(10-17-19-15(16)23)14(22)13(9-11(2)3)18-12(4)21/h10-11,13H,5-9H2,1-4H3,(H,18,21)(H3,16,19,23)/b17-10+/t13-/m0/s1
InChIKeyYIKXDNQUJVTVNN-VZWMTCDZSA-N
MW327.43 g/mol
LogP1.17
Rot. Bonds10

About (2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide

(2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide (PubChem CID 18659590) has the molecular formula C15H29N5O3 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide
PubChem CID18659590
Molecular FormulaC15H29N5O3
Molecular Weight327.43 g/mol
Exact Mass327.23
IUPAC Name(2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide
SMILESCCCCCN(/C=N/NC(N)=O)C(=O)[C@H](CC(C)C)NC(C)=O
InChIInChI=1S/C15H29N5O3/c1-5-6-7-8-20(10-17-19-15(16)23)14(22)13(9-11(2)3)18-12(4)21/h10-11,13H,5-9H2,1-4H3,(H,18,21)(H3,16,19,23)/b17-10+/t13-/m0/s1
InChIKeyYIKXDNQUJVTVNN-VZWMTCDZSA-N
XLogP1.17
TPSA116.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

octyl (2S)-2-acetamido-4-methylpentanoate
CID 176909899
2-[[2-(carbamoylamino)-4-methylpentanoyl]-propylamino]acetic acid
CID 61013419
butyl 2-[(2-acetamido-4-methylpentanoyl)amino]propanoate
CID 559813
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
octadecyl (2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoate
CID 139812042
2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 87526152
N-[(E)-(2-ethyl-4-methylpentylidene)amino]acetamide
CID 143400958
(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
CID 61164908
N-(5-methyl-2-oxohexan-3-yl)pentanamide
CID 123525185
(2S)-2-acetamido-N-(1-hydroxyhexan-2-yl)-4-methylpentanamide
CID 18659589
N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58841973
methyl (2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoate
CID 28963905

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide?
The IUPAC name of (2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide (CID 18659590) is (2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide is CCCCCN(/C=N/NC(N)=O)C(=O)[C@H](CC(C)C)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide?
The InChIKey is YIKXDNQUJVTVNN-VZWMTCDZSA-N. The full InChI is InChI=1S/C15H29N5O3/c1-5-6-7-8-20(10-17-19-15(16)23)14(22)13(9-11(2)3)18-12(4)21/h10-11,13H,5-9H2,1-4H3,(H,18,21)(H3,16,19,23)/b17-10+/t13-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide?
(2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide has a molecular weight of 327.43 g/mol, XLogP of 1.17, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(E)-(carbamoylhydrazinylidene)methyl]-4-methyl-N-pentylpentanamide is sourced from PubChem (CID 18659590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).