(2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide

C14H29N3O2 — CID 97027546

IUPAC(2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide
SMILESCCCCCC[C@H](C)NC(=O)N[C@H](C)C(=O)N(C)C
InChIInChI=1S/C14H29N3O2/c1-6-7-8-9-10-11(2)15-14(19)16-12(3)13(18)17(4)5/h11-12H,6-10H2,1-5H3,(H2,15,16,19)/t11-,12+/m0/s1
InChIKeyFFQJVAAFOUCKMW-NWDGAFQWSA-N
MW271.40 g/mol
LogP2.12
Rot. Bonds8

About (2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide

(2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide (PubChem CID 97027546) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide
PubChem CID97027546
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name(2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide
SMILESCCCCCC[C@H](C)NC(=O)N[C@H](C)C(=O)N(C)C
InChIInChI=1S/C14H29N3O2/c1-6-7-8-9-10-11(2)15-14(19)16-12(3)13(18)17(4)5/h11-12H,6-10H2,1-5H3,(H2,15,16,19)/t11-,12+/m0/s1
InChIKeyFFQJVAAFOUCKMW-NWDGAFQWSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide with MolForge

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Related Compounds

1-heptan-2-yl-3-propan-2-ylurea
CID 71899821
N-dodecan-2-ylpropanamide
CID 174988669
(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566462
1-ethyl-3-[(2S)-octan-2-yl]urea
CID 94866604
1-ethyl-3-octan-2-ylurea
CID 56827686
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
N,N,4-trimethyl-2-(nonan-2-ylamino)pentanamide
CID 43675030
(2R)-N,N-dimethyl-2-(methylcarbamoylamino)propanamide
CID 59006567
(2S)-3-methyl-2-(octan-2-ylcarbamoylamino)pentanoic acid
CID 61479063
(2R)-2-[[(2R)-heptan-2-yl]sulfamoyl]-N,N-dimethylpropanamide
CID 99796865
3-methyl-2-(octan-2-ylcarbamoylamino)pentanoic acid
CID 61479062
2-(heptan-2-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 54955613

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide (CID 97027546) is (2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide is CCCCCC[C@H](C)NC(=O)N[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide?
The InChIKey is FFQJVAAFOUCKMW-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-7-8-9-10-11(2)15-14(19)16-12(3)13(18)17(4)5/h11-12H,6-10H2,1-5H3,(H2,15,16,19)/t11-,12+/m0/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide?
(2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide has a molecular weight of 271.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[[(2S)-octan-2-yl]carbamoylamino]propanamide is sourced from PubChem (CID 97027546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).