2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide

C19H31N3O4 — CID 48676167

IUPAC2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide
SMILESCCCCC(NC(N)=O)C(=O)NC(C)c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C19H31N3O4/c1-6-7-8-15(22-19(20)24)18(23)21-13(4)14-9-10-16(26-12(2)3)17(11-14)25-5/h9-13,15H,6-8H2,1-5H3,(H,21,23)(H3,20,22,24)
InChIKeyQTLPKIQNEHCQDW-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.89
Rot. Bonds10

About 2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide

2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide (PubChem CID 48676167) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide
PubChem CID48676167
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide
SMILESCCCCC(NC(N)=O)C(=O)NC(C)c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C19H31N3O4/c1-6-7-8-15(22-19(20)24)18(23)21-13(4)14-9-10-16(26-12(2)3)17(11-14)25-5/h9-13,15H,6-8H2,1-5H3,(H,21,23)(H3,20,22,24)
InChIKeyQTLPKIQNEHCQDW-UHFFFAOYSA-N
XLogP2.89
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
CID 119721222
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119721211
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 119736427
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119722950
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 119288200

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide?
The IUPAC name of 2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide (CID 48676167) is 2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide is CCCCC(NC(N)=O)C(=O)NC(C)c1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of 2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide?
The InChIKey is QTLPKIQNEHCQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-6-7-8-15(22-19(20)24)18(23)21-13(4)14-9-10-16(26-12(2)3)17(11-14)25-5/h9-13,15H,6-8H2,1-5H3,(H,21,23)(H3,20,22,24).
What are the key properties of 2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide?
2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide has a molecular weight of 365.47 g/mol, XLogP of 2.89, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide is sourced from PubChem (CID 48676167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).