N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide

C10H21N3O3 — CID 62021615

IUPACN-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCCO)C(C)C(=O)NC(N)=O
InChIInChI=1S/C10H21N3O3/c1-7(2)13(5-4-6-14)8(3)9(15)12-10(11)16/h7-8,14H,4-6H2,1-3H3,(H3,11,12,15,16)
InChIKeySHJHJHNEOILRNL-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.34
Rot. Bonds6

About N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide

N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide (PubChem CID 62021615) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide
PubChem CID62021615
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCCO)C(C)C(=O)NC(N)=O
InChIInChI=1S/C10H21N3O3/c1-7(2)13(5-4-6-14)8(3)9(15)12-10(11)16/h7-8,14H,4-6H2,1-3H3,(H3,11,12,15,16)
InChIKeySHJHJHNEOILRNL-UHFFFAOYSA-N
XLogP-0.34
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-hydroxypropyl(propan-2-yl)amino]-3-methoxypropanehydrazide
CID 103229681
N-carbamoyl-2-[2-[di(propan-2-yl)amino]ethylamino]propanamide
CID 43086354
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide
CID 107485792
N-carbamoyl-2-methylpropanamide
CID 541584
N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide
CID 106045951
1-(3-hydroxypropyl)-1-propan-2-ylurea
CID 61040269
N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide
CID 43086025
2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide
CID 43137524
2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide
CID 43137419
2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 62021785
N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395534

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide?
The IUPAC name of N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide (CID 62021615) is N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide is CC(C)N(CCCO)C(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide?
The InChIKey is SHJHJHNEOILRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-7(2)13(5-4-6-14)8(3)9(15)12-10(11)16/h7-8,14H,4-6H2,1-3H3,(H3,11,12,15,16).
What are the key properties of N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide?
N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide has a molecular weight of 231.30 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 62021615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).