N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide

C24H49N3O2 — CID 160870379

IUPACN-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide
SMILESCCCCNCCCCCCCCCC(=O)C(CCCCNC)NC(=O)CCC
InChIInChI=1S/C24H49N3O2/c1-4-6-20-26-21-14-11-9-7-8-10-12-18-23(28)22(17-13-15-19-25-3)27-24(29)16-5-2/h22,25-26H,4-21H2,1-3H3,(H,27,29)
InChIKeyNCARZGVIUABGCQ-UHFFFAOYSA-N
MW411.68 g/mol
LogP4.74
Rot. Bonds22

About N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide

N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide (PubChem CID 160870379) has the molecular formula C24H49N3O2 and a molecular weight of 411.68 g/mol. Its IUPAC name is N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide.

Molecular Properties

Compound NameN-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide
PubChem CID160870379
Molecular FormulaC24H49N3O2
Molecular Weight411.68 g/mol
Exact Mass411.38
IUPAC NameN-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide
SMILESCCCCNCCCCCCCCCC(=O)C(CCCCNC)NC(=O)CCC
InChIInChI=1S/C24H49N3O2/c1-4-6-20-26-21-14-11-9-7-8-10-12-18-23(28)22(17-13-15-19-25-3)27-24(29)16-5-2/h22,25-26H,4-21H2,1-3H3,(H,27,29)
InChIKeyNCARZGVIUABGCQ-UHFFFAOYSA-N
XLogP4.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-6-(methylamino)-2-(pentanoylamino)hexanoate
CID 59070658
N-[6-[2-(butanoylamino)ethylamino]-5-(octanoylamino)-6-oxohexyl]octanamide
CID 129160890
(E)-N-[1-(hexadecylamino)-5-(methylamino)-1-oxopentan-2-yl]octadec-9-enamide
CID 59866760
2,6-bis(hexanoylamino)-N-[7-(hexylamino)-2-oxoheptan-3-yl]hexanamide
CID 118183467
N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide
CID 89162924
6-methyl-N-[5-(6-methylheptanoylamino)-12-(6-methylheptylamino)-8-(2-methylpropanoyl)-6-oxododecyl]heptanamide
CID 161155649
N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide
CID 147790356
methyl 2-[2,6-bis(methylamino)hexanoylamino]-9,13-bis(methylamino)-8-oxotridecanoate
CID 157301898
2-(7-methyloctanoylamino)hexanoic acid
CID 118160586
methyl 2,6-bis(hexanoylamino)hexanoate
CID 102032738
[6-amino-5-[6-[[12-azaniumyl-8-[[6-azaniumyl-2-(dodecanoylamino)hexanoyl]amino]-7-oxododecanoyl]amino]hexanoylamino]-6-oxohexyl]azanium
CID 71591957
(2S)-5-[[(2S)-6-(ethylamino)-1-(5-methylhexylamino)-1-oxohexan-2-yl]amino]-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 175614156

Frequently Asked Questions

What is the IUPAC name of N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide?
The IUPAC name of N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide (CID 160870379) is N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide.
What is the SMILES notation for N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide?
The canonical SMILES for N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide is CCCCNCCCCCCCCCC(=O)C(CCCCNC)NC(=O)CCC.
What is the InChIKey of N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide?
The InChIKey is NCARZGVIUABGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3O2/c1-4-6-20-26-21-14-11-9-7-8-10-12-18-23(28)22(17-13-15-19-25-3)27-24(29)16-5-2/h22,25-26H,4-21H2,1-3H3,(H,27,29).
What are the key properties of N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide?
N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide has a molecular weight of 411.68 g/mol, XLogP of 4.74, 22 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[15-(butylamino)-1-(methylamino)-6-oxopentadecan-5-yl]butanamide is sourced from PubChem (CID 160870379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).