N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide

C18H27N3O4 — CID 155704657

IUPACN-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide
SMILESCCCCCC(=O)NCC(=O)NC(C)C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C18H27N3O4/c1-3-4-5-6-16(23)19-11-17(24)20-13(2)18(25)21-15-9-7-14(12-22)8-10-15/h7-10,13,22H,3-6,11-12H2,1-2H3,(H,19,23)(H,20,24)(H,21,25)
InChIKeyMELIPKCTERRNQA-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.32
Rot. Bonds10

About N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide

N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide (PubChem CID 155704657) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide.

Molecular Properties

Compound NameN-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide
PubChem CID155704657
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide
SMILESCCCCCC(=O)NCC(=O)NC(C)C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C18H27N3O4/c1-3-4-5-6-16(23)19-11-17(24)20-13(2)18(25)21-15-9-7-14(12-22)8-10-15/h7-10,13,22H,3-6,11-12H2,1-2H3,(H,19,23)(H,20,24)(H,21,25)
InChIKeyMELIPKCTERRNQA-UHFFFAOYSA-N
XLogP1.32
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]propanamide;propane
CID 177242107
N-[2-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methyl-4-(phosphanylmethoxy)pentanamide
CID 166957884
prop-2-enyl N-[2-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 126513725
N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane
CID 155714678
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
N-[2-[[5-(carbamoylamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-8-oxononanamide
CID 168954345
6-(2,5-dioxopyrrol-1-yl)-N-[2-[[(2S)-1-[[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]hexanamide
CID 167299308
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
CID 25172177
tert-butyl N-[2-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 176555922
7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide
CID 119785013
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 142383780

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide?
The IUPAC name of N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide (CID 155704657) is N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide.
What is the SMILES notation for N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide?
The canonical SMILES for N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide is CCCCCC(=O)NCC(=O)NC(C)C(=O)Nc1ccc(CO)cc1.
What is the InChIKey of N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide?
The InChIKey is MELIPKCTERRNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-3-4-5-6-16(23)19-11-17(24)20-13(2)18(25)21-15-9-7-14(12-22)8-10-15/h7-10,13,22H,3-6,11-12H2,1-2H3,(H,19,23)(H,20,24)(H,21,25).
What are the key properties of N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide?
N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide has a molecular weight of 349.43 g/mol, XLogP of 1.32, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 155704657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).